8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H21Cl2N7 — CID 58398083

IUPAC8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4c(-c5ccc(Cl)c(Cl)c5)cccn4n3)CC2)ncn1
InChIInChI=1S/C22H21Cl2N7/c1-14-11-20(26-13-25-14)30-9-6-16(7-10-30)27-22-28-21-17(3-2-8-31(21)29-22)15-4-5-18(23)19(24)12-15/h2-5,8,11-13,16H,6-7,9-10H2,1H3,(H,27,29)
InChIKeyIYBPRVCRHBULQB-UHFFFAOYSA-N
MW454.37 g/mol
LogP4.88
Rot. Bonds4

About 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58398083) has the molecular formula C22H21Cl2N7 and a molecular weight of 454.37 g/mol. Its IUPAC name is 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58398083
Molecular FormulaC22H21Cl2N7
Molecular Weight454.37 g/mol
Exact Mass453.12
IUPAC Name8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2CCC(Nc3nc4c(-c5ccc(Cl)c(Cl)c5)cccn4n3)CC2)ncn1
InChIInChI=1S/C22H21Cl2N7/c1-14-11-20(26-13-25-14)30-9-6-16(7-10-30)27-22-28-21-17(3-2-8-31(21)29-22)15-4-5-18(23)19(24)12-15/h2-5,8,11-13,16H,6-7,9-10H2,1H3,(H,27,29)
InChIKeyIYBPRVCRHBULQB-UHFFFAOYSA-N
XLogP4.88
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58398083) is 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2CCC(Nc3nc4c(-c5ccc(Cl)c(Cl)c5)cccn4n3)CC2)ncn1.
What is the InChIKey of 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IYBPRVCRHBULQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N7/c1-14-11-20(26-13-25-14)30-9-6-16(7-10-30)27-22-28-21-17(3-2-8-31(21)29-22)15-4-5-18(23)19(24)12-15/h2-5,8,11-13,16H,6-7,9-10H2,1H3,(H,27,29).
What are the key properties of 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 454.37 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dichlorophenyl)-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58398083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).